2-[(3,4-dimethylphenyl)sulfanylmethyl]-N-methylpyridin-4-amine

C15H18N2S — CID 79259613

IUPAC2-[(3,4-dimethylphenyl)sulfanylmethyl]-N-methylpyridin-4-amine
SMILESCNc1ccnc(CSc2ccc(C)c(C)c2)c1
InChIInChI=1S/C15H18N2S/c1-11-4-5-15(8-12(11)2)18-10-14-9-13(16-3)6-7-17-14/h4-9H,10H2,1-3H3,(H,16,17)
InChIKeyRPMGUJAOHKZXIE-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.03
Rot. Bonds4

About 2-[(3,4-dimethylphenyl)sulfanylmethyl]-N-methylpyridin-4-amine

2-[(3,4-dimethylphenyl)sulfanylmethyl]-N-methylpyridin-4-amine (PubChem CID 79259613) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)sulfanylmethyl]-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)sulfanylmethyl]-N-methylpyridin-4-amine
PubChem CID79259613
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name2-[(3,4-dimethylphenyl)sulfanylmethyl]-N-methylpyridin-4-amine
SMILESCNc1ccnc(CSc2ccc(C)c(C)c2)c1
InChIInChI=1S/C15H18N2S/c1-11-4-5-15(8-12(11)2)18-10-14-9-13(16-3)6-7-17-14/h4-9H,10H2,1-3H3,(H,16,17)
InChIKeyRPMGUJAOHKZXIE-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)sulfanylmethyl]-N-methylpyridin-4-amine?
The IUPAC name of 2-[(3,4-dimethylphenyl)sulfanylmethyl]-N-methylpyridin-4-amine (CID 79259613) is 2-[(3,4-dimethylphenyl)sulfanylmethyl]-N-methylpyridin-4-amine.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)sulfanylmethyl]-N-methylpyridin-4-amine?
The canonical SMILES for 2-[(3,4-dimethylphenyl)sulfanylmethyl]-N-methylpyridin-4-amine is CNc1ccnc(CSc2ccc(C)c(C)c2)c1.
What is the InChIKey of 2-[(3,4-dimethylphenyl)sulfanylmethyl]-N-methylpyridin-4-amine?
The InChIKey is RPMGUJAOHKZXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-11-4-5-15(8-12(11)2)18-10-14-9-13(16-3)6-7-17-14/h4-9H,10H2,1-3H3,(H,16,17).
What are the key properties of 2-[(3,4-dimethylphenyl)sulfanylmethyl]-N-methylpyridin-4-amine?
2-[(3,4-dimethylphenyl)sulfanylmethyl]-N-methylpyridin-4-amine has a molecular weight of 258.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)sulfanylmethyl]-N-methylpyridin-4-amine is sourced from PubChem (CID 79259613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).